diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate

C11H16O6 — CID 134887202

IUPACdiethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate
SMILESC=CC1O[C@H](C(=O)OCC)[C@@H](C(=O)OCC)O1
InChIInChI=1S/C11H16O6/c1-4-7-16-8(10(12)14-5-2)9(17-7)11(13)15-6-3/h4,7-9H,1,5-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyXBRLHNUYSDJDAY-IUCAKERBSA-N
MW244.24 g/mol
LogP0.41
Rot. Bonds5

About diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate

diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 134887202) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID134887202
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namediethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate
SMILESC=CC1O[C@H](C(=O)OCC)[C@@H](C(=O)OCC)O1
InChIInChI=1S/C11H16O6/c1-4-7-16-8(10(12)14-5-2)9(17-7)11(13)15-6-3/h4,7-9H,1,5-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyXBRLHNUYSDJDAY-IUCAKERBSA-N
XLogP0.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate (CID 134887202) is diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate is C=CC1O[C@H](C(=O)OCC)[C@@H](C(=O)OCC)O1.
What is the InChIKey of diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is XBRLHNUYSDJDAY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16O6/c1-4-7-16-8(10(12)14-5-2)9(17-7)11(13)15-6-3/h4,7-9H,1,5-6H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate?
diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 134887202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).